(E)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxy-3-propoxy-phenyl)but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxy-3-propoxy-phenyl)but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxy-3-propoxy-phenyl)but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxy-3-propoxyphenyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxy-3-propoxyphenyl)but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxy-3-propoxy-phenyl)but-3-enoate Formula: C21H20NO4S- MolecularWeight: 382.4528

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C=C(CC(=O)[O-])C2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CCCOC1=C(C=CC(=C1)/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C21H21NO4S/c1-3-10-26-18-12-14(8-9-17(18)25-2)11-15(13-20(23)24)21-22-16-6-4-5-7-19(16)27-21/h4-9,11-12H,3,10,13H2,1-2H3,(H,23,24)/p-1/b15-11+